Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 3/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HEXA | P06865 | 1/20 | 0.33 |
| ▸ | HEXB | P07686 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3064440 | 0.83 | NOS2 (0.42) | NOS2PDE3BPDE3AKDM4ELMNA | |
| SCHEMBL21567686 | 0.82 | NOS2 (0.56) | NOS2PDE3BPDE3ATLR8KDM4E | |
| SCHEMBL5259760 | 0.82 | NOS2 (0.52) | NOS2PDE3BPDE3ATLR8KDM4E | |
| Hydrochloric Acid SCHEMBL28072387 | 0.80 | NOS2 (0.50) | NOS2PDE3BPDE3ATLR8KDM4E | |
| Bromide SCHEMBL28072273 | 0.80 | NOS2 (0.50) | NOS2PDE3BPDE3ATLR8KDM4E | |
| SCHEMBL2552279 | 0.79 | IKBKB (0.37) | NOS2LMNATSHRNOS3NOS1 | |
| SCHEMBL30676086 | 0.79 | IKBKB (0.37) | NOS2LMNATSHRNOS3NOS1 | |
| SCHEMBL15923846 | 0.77 | TSHR (0.38) | TLR8KDM4ELMNACYP3A4TSHR | |
| SCHEMBL17335193 | 0.77 | CYP2C9 (0.38) | KDM4ELMNACYP3A4TSHRNOS1 | |
| SCHEMBL24753828 | 0.76 | NOS2 (0.50) | NOS2PDE3BPDE3ATLR8KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1368342-A2 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORPORATION (US) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002050062-A2 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |